Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM376945'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376945 ((R)-4-(1-(1-acryloylpiperidin-3-yl)-4-amino-1H-pyr...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12 Show InChI InChI=1S/C27H28N8O4/c1-4-21(36)34-13-7-8-16(14-34)35-25-22(24(28)29-15-30-25)23(32-35)26(37)31-19-11-12-20(39-27(38)33(2)3)18-10-6-5-9-17(18)19/h4-6,9-12,15-16H,1,7-8,13-14H2,2-3H3,(H,31,37)(H2,28,29,30)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2F193VV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376945 ((R)-4-(1-(1-acryloylpiperidin-3-yl)-4-amino-1H-pyr...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12 Show InChI InChI=1S/C27H28N8O4/c1-4-21(36)34-13-7-8-16(14-34)35-25-22(24(28)29-15-30-25)23(32-35)26(37)31-19-11-12-20(39-27(38)33(2)3)18-10-6-5-9-17(18)19/h4-6,9-12,15-16H,1,7-8,13-14H2,2-3H3,(H,31,37)(H2,28,29,30)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376945 ((R)-4-(1-(1-acryloylpiperidin-3-yl)-4-amino-1H-pyr...) Show SMILES CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12 Show InChI InChI=1S/C27H28N8O4/c1-4-21(36)34-13-7-8-16(14-34)35-25-22(24(28)29-15-30-25)23(32-35)26(37)31-19-11-12-20(39-27(38)33(2)3)18-10-6-5-9-17(18)19/h4-6,9-12,15-16H,1,7-8,13-14H2,2-3H3,(H,31,37)(H2,28,29,30)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
					More data for this Ligand-Target Pair